SCHEMBL3381891

SCHEMBL3381891

O=C(O)C[C@@H](C(=O)O)N(Cl)Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 1/20 0.35
FOLH1 Q04609 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3381888 1.00 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6TSHRFOLH1
SCHEMBL3379978 0.82 ALOX15 (0.31) KMT2A
SCHEMBL3379982 0.82 ALOX15 (0.31) KMT2A
SCHEMBL3381808 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6TSHRFOLH1
SCHEMBL3381805 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6TSHRFOLH1
SCHEMBL3381192 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6TSHRFOLH1
SCHEMBL3381196 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6TSHRFOLH1
SCHEMBL3380281 0.78
SCHEMBL3380275 0.78
SCHEMBL3377867 0.77 TET2 (0.43) FOLH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed